Geometry & MOs

Info

ID:	280947
PubChem CID:	103852097
Reduced:	ClN3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	73.63
Dipole, Da:	3.85
IP(EA), eV:	-8.26(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-ethoxy-3-(hydroxymethyl)anilino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)NCC2=CC=CC=C2C#N)Cl

DOS

IR

Vibrations